ChemSpider 2D Image | tert-Butyl 3-(benzo[d]oxazol-2-ylamino)pyrrolidine-1-carboxylate | C16H21N3O3

tert-Butyl 3-(benzo[d]oxazol-2-ylamino)pyrrolidine-1-carboxylate

  • Molecular FormulaC16H21N3O3
  • Average mass303.356 Da
  • Monoisotopic mass303.158295 Da
  • ChemSpider ID28303932

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1353958-77-6 [RN]
1-Pyrrolidinecarboxylic acid, 3-(2-benzoxazolylamino)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(1,3-benzoxazol-2-ylamino)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(1,3-benzoxazol-2-ylamino)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-(1,3-Benzoxazol-2-ylamino)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(benzo[d]oxazol-2-ylamino)pyrrolidine-1-carboxylate
3-(Benzooxazol-2-ylamino)pyrrolidine-1-carboxylic acid tert-butyl ester
3-(Benzooxazol-2-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD21098964 [MDL number]
tert-butyl 3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 427.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.6±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.13
ACD/KOC (pH 5.5): 1275.15
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.29
ACD/KOC (pH 7.4): 1276.42
Polar Surface Area: 68 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 242.0±3.0 cm3

Click to predict properties on the Chemicalize site


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